-
Notifications
You must be signed in to change notification settings - Fork 599
Closed
Labels
Description
Bug summary
It should be only printed once, i.e. on the rank 0.
DeePMD-kit Version
v3.0.1
Backend and its version
PyTorch v2.4.1.post302
How did you download the software?
Offline packages
Input Files, Running Commands, Error Log, etc.
[2025-02-10 17:58:17,472] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,472] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,472] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,472] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,472] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,472] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,473] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,473] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,473] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,473] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,473] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,473] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,473] DEEPMD INFO source:
[2025-02-10 17:58:17,473] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,473] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,473] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,473] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,473] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,473] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,473] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,473] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,473] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,473] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,473] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,473] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,473] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,473] DEEPMD INFO computing device: cuda:1
[2025-02-10 17:58:17,473] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,473] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,473] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,473] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,473] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,502] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,503] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,503] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,503] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,503] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,503] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,503] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,503] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,503] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,503] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,503] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,503] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,503] DEEPMD INFO source:
[2025-02-10 17:58:17,503] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,503] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,503] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,503] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,503] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,503] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,503] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,503] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,503] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,503] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,503] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,503] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,503] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,503] DEEPMD INFO computing device: cuda:2
[2025-02-10 17:58:17,503] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,503] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,503] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,503] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,503] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,510] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,510] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,510] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,510] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,510] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,510] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,510] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,510] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,510] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,510] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,510] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,510] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,510] DEEPMD INFO source:
[2025-02-10 17:58:17,510] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,510] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,510] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,510] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,510] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,511] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,511] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,511] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,511] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,511] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,511] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,511] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,511] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,511] DEEPMD INFO computing device: cuda:5
[2025-02-10 17:58:17,511] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,511] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,511] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,511] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,511] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,519] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,519] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,519] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,519] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,519] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,519] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,519] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,519] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,519] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,519] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,519] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,519] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,519] DEEPMD INFO source:
[2025-02-10 17:58:17,519] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,519] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,519] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,519] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,519] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,519] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,519] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,519] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,519] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,519] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,519] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,519] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,519] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,519] DEEPMD INFO computing device: cuda:3
[2025-02-10 17:58:17,520] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,520] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,520] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,520] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,520] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,540] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,540] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,540] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,540] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,540] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,540] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,540] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,540] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,540] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,540] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,540] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,540] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,540] DEEPMD INFO source:
[2025-02-10 17:58:17,541] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,541] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,541] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,541] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,541] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,541] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,541] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,541] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,541] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,541] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,541] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,541] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,541] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,541] DEEPMD INFO computing device: cuda:7
[2025-02-10 17:58:17,541] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,541] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,541] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,541] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,541] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,580] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,580] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,580] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,580] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,580] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,580] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,580] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,580] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,580] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,580] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,580] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,580] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,580] DEEPMD INFO source:
[2025-02-10 17:58:17,580] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,581] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,581] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,581] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,581] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,581] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,581] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,581] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,581] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,581] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,581] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,581] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,581] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,581] DEEPMD INFO computing device: cuda:4
[2025-02-10 17:58:17,581] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,581] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,581] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,581] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,581] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[bohrium-156-1256408:01441] shmem: mmap: an error occurred while determining whether or not /tmp/ompi.bohrium-156-1256408.0/jf.0/1753350144/shared_mem_cuda_pool.bohrium-156-1256408 could be created.
[bohrium-156-1256408:01441] create_and_attach: unable to create shared memory BTL coordinating structure :: size 134217728
[bohrium-156-1256408:01435] shmem: mmap: an error occurred while determining whether or not /tmp/ompi.bohrium-156-1256408.0/jf.0/4004642816/shared_mem_cuda_pool.bohrium-156-1256408 could be created.
[bohrium-156-1256408:01435] create_and_attach: unable to create shared memory BTL coordinating structure :: size 134217728
[2025-02-10 17:58:17,708] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,708] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,708] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,708] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,708] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,708] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,708] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,708] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,708] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,708] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,708] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,708] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,708] DEEPMD INFO source:
[2025-02-10 17:58:17,708] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,708] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,708] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,708] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,708] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,708] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,708] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,708] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,708] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,708] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,708] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,708] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,708] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,708] DEEPMD INFO computing device: cuda:6
[2025-02-10 17:58:17,708] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,708] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,709] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,709] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,709] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,806] DEEPMD INFO _____ _____ __ __ _____ _ _ _
[2025-02-10 17:58:17,806] DEEPMD INFO | __ \ | __ \ | \/ || __ \ | | (_)| |
[2025-02-10 17:58:17,806] DEEPMD INFO | | | | ___ ___ | |__) || \ / || | | | ______ | | __ _ | |_
[2025-02-10 17:58:17,806] DEEPMD INFO | | | | / _ \ / _ \| ___/ | |\/| || | | ||______|| |/ /| || __|
[2025-02-10 17:58:17,806] DEEPMD INFO | |__| || __/| __/| | | | | || |__| | | < | || |_
[2025-02-10 17:58:17,806] DEEPMD INFO |_____/ \___| \___||_| |_| |_||_____/ |_|\_\|_| \__|
[2025-02-10 17:58:17,806] DEEPMD INFO Please read and cite:
[2025-02-10 17:58:17,806] DEEPMD INFO Wang, Zhang, Han and E, Comput.Phys.Comm. 228, 178-184 (2018)
[2025-02-10 17:58:17,806] DEEPMD INFO Zeng et al, J. Chem. Phys., 159, 054801 (2023)
[2025-02-10 17:58:17,806] DEEPMD INFO See https://deepmd.rtfd.io/credits/ for details.
[2025-02-10 17:58:17,806] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
[2025-02-10 17:58:17,806] DEEPMD INFO installed to: /root/deepmd-kit/lib/python3.12/site-packages/deepmd
[2025-02-10 17:58:17,806] DEEPMD INFO source:
[2025-02-10 17:58:17,806] DEEPMD INFO source branch: HEAD
[2025-02-10 17:58:17,806] DEEPMD INFO source commit: c314f1b
[2025-02-10 17:58:17,806] DEEPMD INFO source commit at: 2024-12-23 16:45:06 -0800
[2025-02-10 17:58:17,806] DEEPMD INFO use float prec: double
[2025-02-10 17:58:17,806] DEEPMD INFO build variant: cuda
[2025-02-10 17:58:17,806] DEEPMD INFO Backend: PyTorch
[2025-02-10 17:58:17,806] DEEPMD INFO PT ver: v2.4.1.post302-gUnknown
[2025-02-10 17:58:17,806] DEEPMD INFO Enable custom OP: True
[2025-02-10 17:58:17,806] DEEPMD INFO build with PT ver: 2.4.1
[2025-02-10 17:58:17,806] DEEPMD INFO build with PT inc: /root/deepmd-kit/lib/python3.12/site-packages/torch/include
[2025-02-10 17:58:17,806] DEEPMD INFO /root/deepmd-kit/lib/python3.12/site-packages/torch/include/torch/csrc/api/include
[2025-02-10 17:58:17,807] DEEPMD INFO build with PT lib: /root/deepmd-kit/lib/python3.12/site-packages/torch/lib
[2025-02-10 17:58:17,807] DEEPMD INFO running on: bohrium-156-1256408
[2025-02-10 17:58:17,807] DEEPMD INFO computing device: cuda:0
[2025-02-10 17:58:17,807] DEEPMD INFO CUDA_VISIBLE_DEVICES: unset
[2025-02-10 17:58:17,807] DEEPMD INFO Count of visible GPUs: 8
[2025-02-10 17:58:17,807] DEEPMD INFO num_intra_threads: 0
[2025-02-10 17:58:17,807] DEEPMD INFO num_inter_threads: 0
[2025-02-10 17:58:17,807] DEEPMD INFO ---------------------------------------------------------------------------------------------------------
Steps to Reproduce
cd examples/water/se_atten
torchrun --nproc_per_node=4 --no-python dp --pt train input.jsonFurther Information, Files, and Links
No response
Reactions are currently unavailable